[Pw_forum] phonons of bcc iron bulk in parallel

[Paolo Giannozzi]

On Jun 14, 2007, at 18:46 , Andrea Floris wrote:

>> with pools? there was a number of problems with phonons+pools+lsda
>> in 3.2. I though they were all fixed by the two patches, but maybe  
>> they
>> were not...
>
> Yes, with npool = 4 . Inspired by your question I run a parallel  
> job with
> npool=1 (i.e. with no pools) and everything is fine. So also after  
> applying
> the patch 3.2.2, the problem arises when  pools are used.

in fact one needed correction was missing from the patch (the cvs  
version
works fine). Thanks to AdC who found it. Attached please find yet  
another
(and final!) patch. Go into the directory containing the qe  
distribution,
espresso-3.2/ or something like that, and from there:
    patch -p1 < /path/to/the/diff/file/espresso-3.2.1.diff
Paolo

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Paolo Giannozzi, Democritos and University of Udine, Italy